1,4-dimethyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-5-one

C13H19N3O — CID 110252027

IUPAC1,4-dimethyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-5-one
SMILESCN1CCN(C)C(=O)C(Cc2ccccn2)C1
InChIInChI=1S/C13H19N3O/c1-15-7-8-16(2)13(17)11(10-15)9-12-5-3-4-6-14-12/h3-6,11H,7-10H2,1-2H3
InChIKeyOWFXAYCCZOERPO-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.64
Rot. Bonds2

About 1,4-dimethyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-5-one

1,4-dimethyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-5-one (PubChem CID 110252027) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1,4-dimethyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1,4-dimethyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-5-one
PubChem CID110252027
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1,4-dimethyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-5-one
SMILESCN1CCN(C)C(=O)C(Cc2ccccn2)C1
InChIInChI=1S/C13H19N3O/c1-15-7-8-16(2)13(17)11(10-15)9-12-5-3-4-6-14-12/h3-6,11H,7-10H2,1-2H3
InChIKeyOWFXAYCCZOERPO-UHFFFAOYSA-N
XLogP0.64
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cotinine
CID 854019
Disopyramide
CID 3114
(+-)-Cotinine
CID 408
Vamicamide
CID 65967
alpha-(2-(Bis(1-methylethyl)amino)ethyl)-alpha-(2-methylpropyl)-2-pyridineacetamide
CID 65847
Gsk-334429
CID 11452311
Disopyramide, (R)-
CID 156294
R-(+)-Cotinine
CID 21907
N-(2-(Pyridin-2-yl)ethyl)-3-p-menthanecarboxamide
CID 56969824
Disopyramide, (S)-
CID 156295
(3R,7R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7-methyl-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 23647130
Spiro-carboxamide scaffold, 10
CID 44143296

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-5-one?
The IUPAC name of 1,4-dimethyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-5-one (CID 110252027) is 1,4-dimethyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1,4-dimethyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-5-one?
The canonical SMILES for 1,4-dimethyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-5-one is CN1CCN(C)C(=O)C(Cc2ccccn2)C1.
What is the InChIKey of 1,4-dimethyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-5-one?
The InChIKey is OWFXAYCCZOERPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15-7-8-16(2)13(17)11(10-15)9-12-5-3-4-6-14-12/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1,4-dimethyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-5-one?
1,4-dimethyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-5-one has a molecular weight of 233.31 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-5-one is sourced from PubChem (CID 110252027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).